ethyl (2R)-3-cyclopentyl-2-phenylpropanoate

C16H22O2 — CID 129391453

IUPACethyl (2R)-3-cyclopentyl-2-phenylpropanoate
SMILESCCOC(=O)[C@H](CC1CCCC1)c1ccccc1
InChIInChI=1S/C16H22O2/c1-2-18-16(17)15(12-13-8-6-7-9-13)14-10-4-3-5-11-14/h3-5,10-11,13,15H,2,6-9,12H2,1H3/t15-/m1/s1
InChIKeyCKZUYPBWSKMVAA-OAHLLOKOSA-N
MW246.35 g/mol
LogP3.91
Rot. Bonds5

About ethyl (2R)-3-cyclopentyl-2-phenylpropanoate

ethyl (2R)-3-cyclopentyl-2-phenylpropanoate (PubChem CID 129391453) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is ethyl (2R)-3-cyclopentyl-2-phenylpropanoate.

Molecular Properties

Compound Nameethyl (2R)-3-cyclopentyl-2-phenylpropanoate
PubChem CID129391453
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Nameethyl (2R)-3-cyclopentyl-2-phenylpropanoate
SMILESCCOC(=O)[C@H](CC1CCCC1)c1ccccc1
InChIInChI=1S/C16H22O2/c1-2-18-16(17)15(12-13-8-6-7-9-13)14-10-4-3-5-11-14/h3-5,10-11,13,15H,2,6-9,12H2,1H3/t15-/m1/s1
InChIKeyCKZUYPBWSKMVAA-OAHLLOKOSA-N
XLogP3.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-cyclopentyl-2-(4-ethylsulfanylphenyl)propanoate
CID 141028337
(2S)-3-cyclopentyl-2-phenylpropanoic acid
CID 94855821
ethyl 3-cyclopentyl-2-[4-(2-oxopropylsulfonyl)phenyl]propanoate
CID 67485838
ethyl (2S)-3-amino-2-phenylpropanoate
CID 848661
ethyl 2-phenylbutanoate;sulfane
CID 174662373
3-cyclohexyl-N-hydroxy-2-phenylpropanamide
CID 167915890
(3R)-4-ethoxy-4-oxo-3-phenylbutanoic acid
CID 2276730
tert-butyl (2S)-2-(3-ethoxy-3-oxo-2-phenylpropyl)pyrrolidine-1-carboxylate
CID 138971514
ethyl (3S)-3-cyclohexyl-3-phenylpropanoate
CID 125468052
ethyl 2-phenyl-3-(piperidine-2-carbonylamino)propanoate
CID 119336032
ethyl 2-[cyclobutylmethyl(ethyl)amino]-2-phenylacetate
CID 107399619
ethyl 5-oxo-2-phenylhexanoate
CID 15445591

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-3-cyclopentyl-2-phenylpropanoate?
The IUPAC name of ethyl (2R)-3-cyclopentyl-2-phenylpropanoate (CID 129391453) is ethyl (2R)-3-cyclopentyl-2-phenylpropanoate.
What is the SMILES notation for ethyl (2R)-3-cyclopentyl-2-phenylpropanoate?
The canonical SMILES for ethyl (2R)-3-cyclopentyl-2-phenylpropanoate is CCOC(=O)[C@H](CC1CCCC1)c1ccccc1.
What is the InChIKey of ethyl (2R)-3-cyclopentyl-2-phenylpropanoate?
The InChIKey is CKZUYPBWSKMVAA-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22O2/c1-2-18-16(17)15(12-13-8-6-7-9-13)14-10-4-3-5-11-14/h3-5,10-11,13,15H,2,6-9,12H2,1H3/t15-/m1/s1.
What are the key properties of ethyl (2R)-3-cyclopentyl-2-phenylpropanoate?
ethyl (2R)-3-cyclopentyl-2-phenylpropanoate has a molecular weight of 246.35 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-3-cyclopentyl-2-phenylpropanoate is sourced from PubChem (CID 129391453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).